10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine

C9H16F2N2 — CID 167733073

IUPAC10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine
SMILESNC12CCCCC(CNC1)C2(F)F
InChIInChI=1S/C9H16F2N2/c10-9(11)7-3-1-2-4-8(9,12)6-13-5-7/h7,13H,1-6,12H2
InChIKeyMDINSLGCGXTEAW-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.11
Rot. Bonds

About 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine

10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine (PubChem CID 167733073) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine.

Molecular Properties

Compound Name10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine
PubChem CID167733073
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine
SMILESNC12CCCCC(CNC1)C2(F)F
InChIInChI=1S/C9H16F2N2/c10-9(11)7-3-1-2-4-8(9,12)6-13-5-7/h7,13H,1-6,12H2
InChIKeyMDINSLGCGXTEAW-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,6S)-bicyclo[4.1.0]heptan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine?
The IUPAC name of 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine (CID 167733073) is 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine.
What is the SMILES notation for 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine?
The canonical SMILES for 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine is NC12CCCCC(CNC1)C2(F)F.
What is the InChIKey of 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine?
The InChIKey is MDINSLGCGXTEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)7-3-1-2-4-8(9,12)6-13-5-7/h7,13H,1-6,12H2.
What are the key properties of 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine?
10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine has a molecular weight of 190.24 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-8-azabicyclo[4.3.1]decan-1-amine is sourced from PubChem (CID 167733073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).